N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
Formula:C17H11N4O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C17H11N4O4Cl |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\NC(c3ncccc3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C17H11ClN4O4/c18-14-6-4-11(22(24)25)9-13(14)16-7-5-12(26-16)10-20-21-17(23)15-3-1-2-8-19-15/h1-10H,(H,21,23) |
| InChIK | JDRKQVZFBRQTPM-UHFFFAOYSA-N |
| TotalMolweight | 370.751 |
| Molweight | 370.751 |
| MonoisotopicMass | 370.046883 |
| CLogP | 2.878 |
| CLogS | -5.606 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 274.29 |
| Relative PSA | 0.33362 |
| PolarSurfaceArea | 113.31 |
| Druglikeness | 1.4137 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide | 2 - N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
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